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 Uncertainty


Training of Spiking Neural Networks with Expectation-Propagation

arXiv.org Machine Learning

In this paper, we propose a unifying message-passing framework for training spiking neural networks (SNNs) using Expectation-Propagation. Our gradient-free method is capable of learning the marginal distributions of network parameters and simultaneously marginalizes nuisance parameters, such as the outputs of hidden layers. This framework allows for the first time, training of discrete and continuous weights, for deterministic and stochastic spiking networks, using batches of training samples. Although its convergence is not ensured, the algorithm converges in practice faster than gradient-based methods, without requiring a large number of passes through the training data. The classification and regression results presented pave the way for new efficient training methods for deep Bayesian networks.


GL-LowPopArt: A Nearly Instance-Wise Minimax-Optimal Estimator for Generalized Low-Rank Trace Regression

arXiv.org Machine Learning

We present `GL-LowPopArt`, a novel Catoni-style estimator for generalized low-rank trace regression. Building on `LowPopArt` (Jang et al., 2024), it employs a two-stage approach: nuclear norm regularization followed by matrix Catoni estimation. We establish state-of-the-art estimation error bounds, surpassing existing guarantees (Fan et al., 2019; Kang et al., 2022), and reveal a novel experimental design objective, $\mathrm{GL}(π)$. The key technical challenge is controlling bias from the nonlinear inverse link function, which we address by our two-stage approach. We prove a *local* minimax lower bound, showing that our `GL-LowPopArt` enjoys instance-wise optimality up to the condition number of the ground-truth Hessian. Applications include generalized linear matrix completion, where `GL-LowPopArt` achieves a state-of-the-art Frobenius error guarantee, and **bilinear dueling bandits**, a novel setting inspired by general preference learning (Zhang et al., 2024). Our analysis of a `GL-LowPopArt`-based explore-then-commit algorithm reveals a new, potentially interesting problem-dependent quantity, along with improved Borda regret bound than vectorization (Wu et al., 2024).


Data-Driven Self-Supervised Learning for the Discovery of Solution Singularity for Partial Differential Equations

arXiv.org Machine Learning

The appearance of singularities in the function of interest constitutes a fundamental challenge in scientific computing. It can significantly undermine the effectiveness of numerical schemes for function approximation, numerical integration, and the solution of partial differential equations (PDEs), etc. The problem becomes more sophisticated if the location of the singularity is unknown, which is often encountered in solving PDEs. Detecting the singularity is therefore critical for developing efficient adaptive methods to reduce computational costs in various applications. In this paper, we consider singularity detection in a purely data-driven setting. Namely, the input only contains given data, such as the vertex set from a mesh. To overcome the limitation of the raw unlabeled data, we propose a self-supervised learning (SSL) framework for estimating the location of the singularity. A key component is a filtering procedure as the pretext task in SSL, where two filtering methods are presented, based on $k$ nearest neighbors and kernel density estimation, respectively. We provide numerical examples to illustrate the potential pathological or inaccurate results due to the use of raw data without filtering. Various experiments are presented to demonstrate the ability of the proposed approach to deal with input perturbation, label corruption, and different kinds of singularities such interior circle, boundary layer, concentric semicircles, etc.


FuzzCoh: Robust Canonical Coherence-Based Fuzzy Clustering of Multivariate Time Series

arXiv.org Machine Learning

Brain cognitive and sensory functions are often associated with electrophysiological activity at specific frequency bands. Clustering multivariate time series (MTS) data like EEGs is important for understanding brain functions but challenging due to complex non-stationary cross-dependencies, gradual transitions between cognitive states, noisy measurements, and ambiguous cluster boundaries. To address these issues, we develop a robust fuzzy clustering framework in the spectral domain. Our method leverages Kendall's tau-based canonical coherence, which extracts meaningful frequency-specific monotonic relationships between groups of channels or regions. KenCoh effectively captures dominant coherence structures while remaining robust against outliers and noise, making it suitable for real EEG datasets that typically contain artifacts. Our method first projects each MTS object onto vectors derived from the KenCoh estimates (i.e, canonical directions), which capture relevant information on the connectivity structure of oscillatory signals in predefined frequency bands. These spectral features are utilized to determine clusters of epochs using a fuzzy partitioning strategy, accommodating gradual transitions and overlapping class structure. Lastly, we demonstrate the effectiveness of our approach to EEG data where latent cognitive states such as alertness and drowsiness exhibit frequency-specific dynamics and ambiguity. Our method captures both spectral and spatial features by locating the frequency-dependent structure and brain functional connectivity. Built on the KenCoh framework for fuzzy clustering, it handles the complexity of high-dimensional time series data and is broadly applicable to domains such as neuroscience, wearable sensing, environmental monitoring, and finance.


Explanations are a means to an end

arXiv.org Machine Learning

Modern methods for explainable machine learning are designed to describe how models map inputs to outputs--without deep consideration of how these explanations will be used in practice. This paper argues that explanations should be designed and evaluated with a specific end in mind. We describe how to formalize this end in a framework based in statistical decision theory. We show how this functionally-grounded approach can be applied across diverse use cases, such as clinical decision support, providing recourse, or debugging. We demonstrate its use to characterize the maximum "boost" in performance on a particular task that an explanation could provide an idealized decision-maker, preventing misuse due to ambiguity by forcing researchers to specify concrete use cases that can be analyzed in light of models of expected explanation use. We argue that evaluation should meld theoretical and empirical perspectives on the value of explanation, and contribute definitions that span these perspectives.


Experimenting, Fast and Slow: Bayesian Optimization of Long-term Outcomes with Online Experiments

arXiv.org Machine Learning

Online experiments in internet systems, also known as A/B tests, are used for a wide range of system tuning problems, such as optimizing recommender system ranking policies and learning adaptive streaming controllers. Decision-makers generally wish to optimize for long-term treatment effects of the system changes, which often requires running experiments for a long time as short-term measurements can be misleading due to non-stationarity in treatment effects over time. The sequential experimentation strategies--which typically involve several iterations--can be prohibitively long in such cases. We describe a novel approach that combines fast experiments (e.g., biased experiments run only for a few hours or days) and/or offline proxies (e.g., off-policy evaluation) with long-running, slow experiments to perform sequential, Bayesian optimization over large action spaces in a short amount of time.


CN-SBM: Categorical Block Modelling For Primary and Residual Copy Number Variation

arXiv.org Machine Learning

Cancer is a genetic disorder whose clonal evolution can be monitored by tracking noisy genome-wide copy number variants. We introduce the Copy Number Stochastic Block Model (CN-SBM), a probabilistic framework that jointly clusters samples and genomic regions based on discrete copy number states using a bipartite categorical block model. Unlike models relying on Gaussian or Poisson assumptions, CN-SBM respects the discrete nature of CNV calls and captures subpopulation-specific patterns through block-wise structure. Using a two-stage approach, CN-SBM decomposes CNV data into primary and residual components, enabling detection of both large-scale chromosomal alterations and finer aberrations. We derive a scalable variational inference algorithm for application to large cohorts and high-resolution data. Benchmarks on simulated and real datasets show improved model fit over existing methods. Applied to TCGA low-grade glioma data, CN-SBM reveals clinically relevant subtypes and structured residual variation, aiding patient stratification in survival analysis. These results establish CN-SBM as an interpretable, scalable framework for CNV analysis with direct relevance for tumor heterogeneity and prognosis.


Machine Understanding of Scientific Language

arXiv.org Artificial Intelligence

Scientific information expresses human understanding of nature. This knowledge is largely disseminated in different forms of text, including scientific papers, news articles, and discourse among people on social media. While important for accelerating our pursuit of knowledge, not all scientific text is faithful to the underlying science. As the volume of this text has burgeoned online in recent years, it has become a problem of societal importance to be able to identify the faithfulness of a given piece of scientific text automatically. This thesis is concerned with the cultivation of datasets, methods, and tools for machine understanding of scientific language, in order to analyze and understand science communication at scale. To arrive at this, I present several contributions in three areas of natural language processing and machine learning: automatic fact checking, learning with limited data, and scientific text processing. These contributions include new methods and resources for identifying check-worthy claims, adversarial claim generation, multi-source domain adaptation, learning from crowd-sourced labels, cite-worthiness detection, zero-shot scientific fact checking, detecting exaggerated scientific claims, and modeling degrees of information change in science communication. Critically, I demonstrate how the research outputs of this thesis are useful for effectively learning from limited amounts of scientific text in order to identify misinformative scientific statements and generate new insights into the science communication process


Training Flexible Models of Genetic Variant Effects from Functional Annotations using Accelerated Linear Algebra

arXiv.org Artificial Intelligence

To understand how genetic variants in human genomes manifest in phenotypes -- traits like height or diseases like asthma -- geneticists have sequenced and measured hundreds of thousands of individuals. Geneticists use this data to build models that predict how a genetic variant impacts phenotype given genomic features of the variant, like DNA accessibility or the presence of nearby DNA-bound proteins. As more data and features become available, one might expect predictive models to improve. Unfortunately, training these models is bottlenecked by the need to solve expensive linear algebra problems because variants in the genome are correlated with nearby variants, requiring inversion of large matrices. Previous methods have therefore been restricted to fitting small models, and fitting simplified summary statistics, rather than the full likelihood of the statistical model. In this paper, we leverage modern fast linear algebra techniques to develop DeepWAS (Deep genome Wide Association Studies), a method to train large and flexible neural network predictive models to optimize likelihood. Notably, we find that larger models only improve performance when using our full likelihood approach; when trained by fitting traditional summary statistics, larger models perform no better than small ones. We find larger models trained on more features make better predictions, potentially improving disease predictions and therapeutic target identification.


Quantum computing and artificial intelligence: status and perspectives

arXiv.org Artificial Intelligence

This white paper discusses and explores the various points of intersection between quantum computing and artificial intelligence (AI). It describes how quantum computing could support the development of innovative AI solutions. It also examines use cases of classical AI that can empower research and development in quantum technologies, with a focus on quantum computing and quantum sensing. The purpose of this white paper is to provide a long-term research agenda aimed at addressing foundational questions about how AI and quantum computing interact and benefit one another. It concludes with a set of recommendations and challenges, including how to orchestrate the proposed theoretical work, align quantum AI developments with quantum hardware roadmaps, estimate both classical and quantum resources - especially with the goal of mitigating and optimizing energy consumption - advance this emerging hybrid software engineering discipline, and enhance European industrial competitiveness while considering societal implications.